In-Silico and ADMET Studies

The emergence of antimicrobial resistance poses a significant threat to public health emphasizing the need for the development of novel antimicrobial agents. Triazole and thiazole compounds have demonstrated promising antimicrobial properties making them potential candidates for drug development. In this book we employed in silico and ADMET (absorption distribution metabolism excretion and toxicity) studies to investigate the antimicrobial activity and pharmacokinetic profiles of a diverse set of triazole and thiazole compounds. The results of the in silico studies provided valuable information on the binding modes of the triazole and thiazole compounds highlighting potential interactions and key residues involved in antimicrobial activity. This information may be utilized further for the development of novel antimicrobial agents.